General Information of the Compound
| Compound ID |
CP0503150
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| Compound Name |
(E)-N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-enamide
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
CN(C)CCC(NC(=O)\C=C\c1ccccc1)c1ccc(C)cc1
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| InChI |
InChI=1S/C21H26N2O/c1-17-9-12-19(13-10-17)20(15-16-23(2)3)22-21(24)14-11-18-7-5-4-6-8-18/h4-14,20H,15-16H2,1-3H3,(H,22,24)/b14-11+
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| InChIKey |
PPDLFOJHCJTAGM-SDNWHVSQSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound